Getting the reaction answer

User 797b906150

04-07-2013 16:44:32

Im a newbie to chemaxon.Im trying to do reactions using the MSketchPane. I was able to save and retrieve the compounds. But im having an issue with taking the reactants and the answer of the reaction. I have attached the file I was trying with below.How to provide the reaction rule in such situation? Please help me regarding this situation. This is what i have done. 


 


        MSketchPane pane = new MSketchPane();


        pane.setMol(MoleculeProvider.getImportedMolecule());


 


        Reactor reactor = new Reactor();


        chemaxon.struc.RxnMolecule rxnMolecule = (chemaxon.struc.RxnMolecule) pane.getMol();


 


        Molecule react1 = rxnMolecule.getReactant(0);


        Molecule react2 = rxnMolecule.getReactant(1);


   Molecule[] products=rxnMolecule.getReactants();

ChemAxon e08c317633

05-07-2013 08:18:45

Please describe in details what do you want to achieve. Do you want to use Reactor and MarvinSketch? How?

User 797b906150

05-07-2013 09:13:07

In MSketchPane  i found out there is an option called Reaction under the structure option. But that option is been disabled.How to enable this.  Isnt there any way to use the  Reaction option to get results of reactions? and is it impossible to use import chemaxon.reaction.Reactor; and import chemaxon.marvin.beans.MSketchPane; together?

ChemAxon e08c317633

12-07-2013 13:34:50

Use the JChem library (jchem.jar) from JChem Suite in your Java project. Marvin Suite does not include Reactor.